tert-butyl 2-(3-fluorophenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

tert-butyl 2-(3-fluorophenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

CAS: 1325303-52-3

Formula: C18H22FN3O2S

SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)NC(=S)C(=N2)C1=CC(F)=CC=C1

IUPAC: tert-butyl 2-(3-fluorophenyl)-3-sulfanylidene-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

InChI: InChI=1S/C18H22FN3O2S/c1-17(2,3)24-16(23)22-9-7-18(8-10-22)20-14(15(25)21-18)12-5-4-6-13(19)11-12/h4-6,11H,7-10H2,1-3H3,(H,21,25)

Composition: C (59.48%), H (6.10%), F (5.23%), N (11.56%), O (8.80%), S (8.82%)

Molar Mass: 363.45

Atom Count: 47

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	363.141676297
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BXXNQDNYXGDLAX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.67
Topological Polar Surface Area	53.93
Polarizability	37.84
Ring Count	3
Rotatable Bond Count	3

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95%	<2 Days	1325303-52-3		$51.35-$86.31$51.35$63.37$86.31